2-cyclopentyl-N-[(2-cyclopentyl-4-methylphenyl)sulfonylamino]sulfanyl-4-methylbenzenesulfonamide

C24H32N2O4S3 — CID 88821051

IUPAC2-cyclopentyl-N-[(2-cyclopentyl-4-methylphenyl)sulfonylamino]sulfanyl-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NSNS(=O)(=O)c2ccc(C)cc2C2CCCC2)c(C2CCCC2)c1
InChIInChI=1S/C24H32N2O4S3/c1-17-11-13-23(21(15-17)19-7-3-4-8-19)32(27,28)25-31-26-33(29,30)24-14-12-18(2)16-22(24)20-9-5-6-10-20/h11-16,19-20,25-26H,3-10H2,1-2H3
InChIKeyHKFZYBOCCBWCBM-UHFFFAOYSA-N
MW508.73 g/mol
LogP5.44
Rot. Bonds8

About 2-cyclopentyl-N-[(2-cyclopentyl-4-methylphenyl)sulfonylamino]sulfanyl-4-methylbenzenesulfonamide

2-cyclopentyl-N-[(2-cyclopentyl-4-methylphenyl)sulfonylamino]sulfanyl-4-methylbenzenesulfonamide (PubChem CID 88821051) has the molecular formula C24H32N2O4S3 and a molecular weight of 508.73 g/mol. Its IUPAC name is 2-cyclopentyl-N-[(2-cyclopentyl-4-methylphenyl)sulfonylamino]sulfanyl-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[(2-cyclopentyl-4-methylphenyl)sulfonylamino]sulfanyl-4-methylbenzenesulfonamide
PubChem CID88821051
Molecular FormulaC24H32N2O4S3
Molecular Weight508.73 g/mol
Exact Mass508.15
IUPAC Name2-cyclopentyl-N-[(2-cyclopentyl-4-methylphenyl)sulfonylamino]sulfanyl-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NSNS(=O)(=O)c2ccc(C)cc2C2CCCC2)c(C2CCCC2)c1
InChIInChI=1S/C24H32N2O4S3/c1-17-11-13-23(21(15-17)19-7-3-4-8-19)32(27,28)25-31-26-33(29,30)24-14-12-18(2)16-22(24)20-9-5-6-10-20/h11-16,19-20,25-26H,3-10H2,1-2H3
InChIKeyHKFZYBOCCBWCBM-UHFFFAOYSA-N
XLogP5.44
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.73
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-bromo-2-cyclohexyl-4-methylbenzene
CID 117104268
N-cyclododecyl-2,4-dimethylbenzenesulfonamide
CID 19681945
N-cyclopentyloxy-2,4-dimethylbenzenesulfonamide
CID 83228380
methyl 4-methyl-2-(3-methylidenecyclobutyl)benzenesulfonate
CID 118078733
methyl 4-methyl-2-(1-methylpyrrolidin-3-yl)benzenesulfonate
CID 175699339
N-cyclopentyl-2-methoxy-4-methylbenzenesulfonamide
CID 172906018
2-amino-N-cyclobutyl-4-methylbenzenesulfonamide
CID 62414526
2-(2,4-dimethylphenyl)sulfonylcyclohexan-1-ol
CID 106585473
2-cycloheptyl-5-methylphenol
CID 45096882
2-amino-N-(2-hydroxycyclohexyl)-4-methylbenzenesulfonamide
CID 55063930
1,3-dicyclohexyl-2,5-dimethylbenzene
CID 91568948
ethyl 2-(4,4-difluorocyclohexyl)-4-methylbenzenesulfonate
CID 87922011

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[(2-cyclopentyl-4-methylphenyl)sulfonylamino]sulfanyl-4-methylbenzenesulfonamide?
The IUPAC name of 2-cyclopentyl-N-[(2-cyclopentyl-4-methylphenyl)sulfonylamino]sulfanyl-4-methylbenzenesulfonamide (CID 88821051) is 2-cyclopentyl-N-[(2-cyclopentyl-4-methylphenyl)sulfonylamino]sulfanyl-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-cyclopentyl-N-[(2-cyclopentyl-4-methylphenyl)sulfonylamino]sulfanyl-4-methylbenzenesulfonamide?
The canonical SMILES for 2-cyclopentyl-N-[(2-cyclopentyl-4-methylphenyl)sulfonylamino]sulfanyl-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NSNS(=O)(=O)c2ccc(C)cc2C2CCCC2)c(C2CCCC2)c1.
What is the InChIKey of 2-cyclopentyl-N-[(2-cyclopentyl-4-methylphenyl)sulfonylamino]sulfanyl-4-methylbenzenesulfonamide?
The InChIKey is HKFZYBOCCBWCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4S3/c1-17-11-13-23(21(15-17)19-7-3-4-8-19)32(27,28)25-31-26-33(29,30)24-14-12-18(2)16-22(24)20-9-5-6-10-20/h11-16,19-20,25-26H,3-10H2,1-2H3.
What are the key properties of 2-cyclopentyl-N-[(2-cyclopentyl-4-methylphenyl)sulfonylamino]sulfanyl-4-methylbenzenesulfonamide?
2-cyclopentyl-N-[(2-cyclopentyl-4-methylphenyl)sulfonylamino]sulfanyl-4-methylbenzenesulfonamide has a molecular weight of 508.73 g/mol, XLogP of 5.44, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[(2-cyclopentyl-4-methylphenyl)sulfonylamino]sulfanyl-4-methylbenzenesulfonamide is sourced from PubChem (CID 88821051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).